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Home > Indoles and Oxindole > 796040-72-7
796040-72-7 | Azepino[3,4-b]indol-1(2H)-one, 3,4,5,10-tetrahydro-5-hydroxy-
CAS No: 796040-72-7 Catalog No: AG0057QV MDL No:
Product Description
Catalog Number:
AG0057QV
Chemical Name:
Azepino[3,4-b]indol-1(2H)-one, 3,4,5,10-tetrahydro-5-hydroxy-
CAS Number:
796040-72-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-hydroxy-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
InChI:
InChI=1S/C12H12N2O2/c15-9-5-6-13-12(16)11-10(9)7-3-1-2-4-8(7)14-11/h1-4,9,14-15H,5-6H2,(H,13,16)
InChI Key:
WPCKNEGXOMQYQM-UHFFFAOYSA-N
SMILES:
OC1CCNC(=O)c2c1c1ccccc1[nH]2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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